N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine

C74H46N2 — CID 135167321

About N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine

N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine (PubChem CID 135167321) has the molecular formula C74H46N2 and a molecular weight of 963.20 g/mol. Its IUPAC name is N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine.

Molecular Properties

• Compound Name: N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine
• PubChem CID: 135167321
• Molecular Formula: C74H46N2
• Molecular Weight: 963.20 g/mol
• Exact Mass: 962.37
• IUPAC Name: N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine
• SMILES: c1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C74H46N2/c1-2-21-47(22-3-1)48-23-20-24-49(43-48)52-25-9-17-38-69(52)75(50-41-42-58-57-30-8-13-34-63(57)73(67(58)45-50)61-32-11-4-26-53(61)54-27-5-12-33-62(54)73)51-44-60-59-31-10-18-39-70(59)76-71-40-19-16-37-66(71)74(68(46-51)72(60)76)64-35-14-6-28-55(64)56-29-7-15-36-65(56)74/h1-46H
• InChIKey: FIQYEJREJZWJJO-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.20
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine?

The IUPAC name of N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine (CID 135167321) is N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine.

What is the SMILES notation for N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine?

The canonical SMILES for N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine?

The InChIKey is FIQYEJREJZWJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2/c1-2-21-47(22-3-1)48-23-20-24-49(43-48)52-25-9-17-38-69(52)75(50-41-42-58-57-30-8-13-34-63(57)73(67(58)45-50)61-32-11-4-26-53(61)54-27-5-12-33-62(54)73)51-44-60-59-31-10-18-39-70(59)76-71-40-19-16-37-66(71)74(68(46-51)72(60)76)64-35-14-6-28-55(64)56-29-7-15-36-65(56)74/h1-46H.

What are the key properties of N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine?

N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine has a molecular weight of 963.20 g/mol, XLogP of 18.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine is sourced from PubChem (CID 135167321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).